N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide

C19H18F4N4O4 — CID 122505556

IUPACN-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide
SMILESCOC[C@@H](NC(=O)c1cncc(N2CCCC2=O)n1)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C19H18F4N4O4/c1-30-10-14(11-4-5-15(12(20)7-11)31-19(21,22)23)26-18(29)13-8-24-9-16(25-13)27-6-2-3-17(27)28/h4-5,7-9,14H,2-3,6,10H2,1H3,(H,26,29)/t14-/m1/s1
InChIKeyFHYFECAEIGLEIC-CQSZACIVSA-N
MW442.37 g/mol
LogP2.76
Rot. Bonds7

About N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide

N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide (PubChem CID 122505556) has the molecular formula C19H18F4N4O4 and a molecular weight of 442.37 g/mol. Its IUPAC name is N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide
PubChem CID122505556
Molecular FormulaC19H18F4N4O4
Molecular Weight442.37 g/mol
Exact Mass442.13
IUPAC NameN-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide
SMILESCOC[C@@H](NC(=O)c1cncc(N2CCCC2=O)n1)c1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C19H18F4N4O4/c1-30-10-14(11-4-5-15(12(20)7-11)31-19(21,22)23)26-18(29)13-8-24-9-16(25-13)27-6-2-3-17(27)28/h4-5,7-9,14H,2-3,6,10H2,1H3,(H,26,29)/t14-/m1/s1
InChIKeyFHYFECAEIGLEIC-CQSZACIVSA-N
XLogP2.76
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-oxo-2-pyrrolidin-1-yl-1H-pyrimidine-4-carboxamide
CID 137045712
N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-2-(1-methylcyclopentyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137029079
N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-2-(1-methylcyclopentyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137045717
N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-oxo-2-pyridin-4-yl-1H-pyrimidine-4-carboxamide
CID 137045842
N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-2-(furan-3-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137045826
N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-4-carboxamide
CID 137029067
N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-2-[methyl(2-methylpropyl)amino]-6-oxo-1H-pyrimidine-4-carboxamide
CID 137045768
5-(dimethylamino)-N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121361708
N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-5-(3-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121361753
N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-5-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 121361641
N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-[(4-methoxyphenyl)methoxy]-2-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)pyrimidine-4-carboxamide
CID 122505648
N-[1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-7-hydroxy-2-oxo-1-(2-trimethylsilylethoxymethyl)-3H-pyrido[2,3-b]pyrazine-4-carboxamide
CID 131742335

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide (CID 122505556) is N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide is COC[C@@H](NC(=O)c1cncc(N2CCCC2=O)n1)c1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide?
The InChIKey is FHYFECAEIGLEIC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18F4N4O4/c1-30-10-14(11-4-5-15(12(20)7-11)31-19(21,22)23)26-18(29)13-8-24-9-16(25-13)27-6-2-3-17(27)28/h4-5,7-9,14H,2-3,6,10H2,1H3,(H,26,29)/t14-/m1/s1.
What are the key properties of N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide?
N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide has a molecular weight of 442.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methoxyethyl]-6-(2-oxopyrrolidin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 122505556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).